N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine

C11H16Cl2N4 — CID 97164371

IUPACN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1
InChIInChI=1S/C11H16Cl2N4/c1-17(7-9-3-2-4-14-9)6-8-5-15-11(13)16-10(8)12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyIGLRAJTZNRCFTA-VIFPVBQESA-N
MW275.18 g/mol
LogP1.97
Rot. Bonds4

About N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine

N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 97164371) has the molecular formula C11H16Cl2N4 and a molecular weight of 275.18 g/mol. Its IUPAC name is N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID97164371
Molecular FormulaC11H16Cl2N4
Molecular Weight275.18 g/mol
Exact Mass274.08
IUPAC NameN-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1
InChIInChI=1S/C11H16Cl2N4/c1-17(7-9-3-2-4-14-9)6-8-5-15-11(13)16-10(8)12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyIGLRAJTZNRCFTA-VIFPVBQESA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-(isoquinolin-4-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602512
(3R)-N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 71641701
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
N-[(2-chloro-5-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106635442
N-methyl-N-[(3-methylsulfanylpyrazin-2-yl)methyl]-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71643386
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine (CID 97164371) is N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine is CN(Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1.
What is the InChIKey of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is IGLRAJTZNRCFTA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16Cl2N4/c1-17(7-9-3-2-4-14-9)6-8-5-15-11(13)16-10(8)12/h5,9,14H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine?
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 275.18 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 97164371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).